SCHEMBL22957461

SCHEMBL22957461

CC(C)(C)OC(=O)N1CC=C(c2cc(F)c(Br)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.53
GRM1 Q13255 8/20 0.49
GRM5 P41594 7/20 0.49
HTR6 P50406 1/20 0.46
WDR5 P61964 2/20 0.46
JAK1 P23458 1/20 0.46
TNF P01375 1/20 0.45
NAMPT P43490 1/20 0.44
CNR1 P21554 1/20 0.44
CDK9 P50750 3/20 0.44
CCNT1 O60563 1/20 0.44
SCN9A Q15858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29707360 1.00 PDK4 (0.53) PDK4GRM1GRM5HTR6WDR5
SCHEMBL22391820 0.95 PDK4 (0.53) PDK4GRM1GRM5HTR6WDR5
SCHEMBL31342561 0.90 PDK4 (0.50) PDK4GRM1GRM5HTR6WDR5
SCHEMBL31341979 0.86 PDK4 (0.53) PDK4GRM1GRM5HTR6WDR5
SCHEMBL29197065 0.86 PDK4 (0.53) PDK4GRM1GRM5HTR6WDR5
SCHEMBL1199843 0.85 PDK4 (0.54) PDK4GRM1GRM5HTR6WDR5
SCHEMBL30112465 0.85 PDK4 (0.54) PDK4GRM1GRM5HTR6WDR5
SCHEMBL13993111 0.85 GRM1 (0.57) PDK4GRM1GRM5HTR6JAK1
SCHEMBL9731949 0.85 WDR5 (0.43) WDR5JAK1CDK9CCNT1
SCHEMBL24670953 0.84 PDK4 (0.51) PDK4GRM1GRM5HTR6WDR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS C4 THERAPEUTICS, INC. 2024-10-17 US disclosed
CN-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 CN disclosed
WO-2023283610-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10913753-B2 Thienopyridine carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 PDK4 3136/4885GRM1 1928/4885GRM5 1630/4885
US-20240343733-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS IRAK4, IRAK2, IRAK1 PDK4 1610/4885GRM1 2345/4885GRM5 2369/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.